4-(4-hexylphenyl)-3-phenyl-benzenecarbonitrile

Systemtic Name: 4-(4-hexylphenyl)-3-phenyl-benzenecarbonitrile Openeye Name: 4-(4-hexylphenyl)-3-phenyl-benzonitrile CAS Name: 4-(4-hexylphenyl)-3-phenylbenzonitrile IUPAC Name: 4-(4-hexylphenyl)-3-phenylbenzonitrile Traditional Name: 4-(4-hexylphenyl)-3-phenyl-benzonitrile Formula: C25H25N MolecularWeight: 339.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H25N/c1-2-3-4-6-9-20-12-15-23(16-13-20)24-17-14-21(19-26)18-25(24)22-10-7-5-8-11-22/h5,7-8,10-18H,2-4,6,9H2,1H3